4C5D

Crystal structure of Bcl-xL in complex with benzoylurea compound (42)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-04
Detector	ADSC QUANTUM 210r
Spacegroup name	P 32 2 1
Unit cell lengths	64.138, 64.138, 132.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.125 - 2.300
R-factor	0.1699
Rwork	0.166
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c52
RMSD bond length	0.011
RMSD bond angle	1.306
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.250	1.390
Number of reflections	14561
<I/σ(I)>	11.27	1.66
Completeness [%]	99.8	98.9
Redundancy	10.3	7.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		1.1 M (NH4)2SO4, 0.1 M MES PH 6.5, 25% (V/V) ETHYLENE GLYCOL